| SpectraBase Compound ID | BXiHYQ1fRe1 |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-3-4-10-17-11(14)8-6-5-7-9-13-12(15)16-2/h3-10H2,1-2H3,(H,13,15) |
| InChIKey | UYBCXXYVEZZYOE-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3j5tVTSnbCP |
|---|---|
| Name | 6-Aminocaproic acid, N-methoxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-3-4-10-17-11(14)8-6-5-7-9-13-12(15)16-2/h3-10H2,1-2H3,(H,13,15) |
| InChIKey | UYBCXXYVEZZYOE-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | COC(NCCCCCC(OCCCC)=O)=O |